#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue n SER 2 N 0.00 3.48 -0.11 1.61 7.64 -1.26 -4.88 113.62 120.10 2cue n SER 2 Ca 0.00 0.98 -0.24 0.00 1.01 0.00 0.00 58.87 60.62 2cue n SER 2 Cb 0.00 -1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 61.69 2cue n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cue n SER 3 N 6.20 1.90 -0.78 6.43 7.64 -1.26 -5.07 113.62 128.67 2cue n SER 3 Ca 0.21 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.48 2cue n SER 3 Cb 0.31 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2cue n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 4 N 1.42 -0.73 3.91 0.23 0.00 -1.26 -4.82 105.19 103.94 2cue n GLY 4 Ca -0.39 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 2cue n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cue s SER 5 N -4.06 6.14 -0.04 1.61 0.15 -1.26 -5.12 113.70 111.11 2cue s SER 5 Ca 0.00 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.75 2cue s SER 5 Cb 0.00 -1.79 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2cue s SER 5 CO 0.00 0.04 -0.05 -0.44 1.20 0.00 0.00 173.24 173.99 2cue s SER 6 N -3.28 1.00 0.00 5.45 0.01 -1.26 -5.05 113.70 110.57 2cue s SER 6 Ca 0.34 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2cue s SER 6 Cb -0.11 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.65 2cue s SER 6 CO 0.27 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2cue n GLY 7 N 3.98 0.99 0.12 3.44 0.00 -1.26 -5.05 105.19 107.41 2cue n GLY 7 Ca -0.25 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 2cue n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cue n GLN 8 N 2.89 0.57 -3.64 1.61 6.02 -1.26 -5.03 117.38 118.54 2cue n GLN 8 Ca 0.00 0.40 -0.05 0.00 -0.01 0.00 0.00 57.00 57.33 2cue n GLN 8 Cb 0.00 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.59 2cue n GLN 8 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2cue s ARG 9 N -2.46 0.53 0.12 -1.09 3.52 -1.26 -5.18 118.95 113.12 2cue s ARG 9 Ca -0.34 0.85 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 2cue s ARG 9 Cb 0.10 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 2cue s ARG 9 CO 0.52 -0.10 -0.02 0.54 -0.81 0.00 0.00 175.30 175.43 2cue s ASN 10 N 1.23 0.94 0.30 -2.12 2.20 -1.26 -5.17 114.94 111.07 2cue s ASN 10 Ca -0.07 -1.08 0.07 0.00 -0.94 0.00 0.00 52.86 50.84 2cue s ASN 10 Cb -0.04 0.15 -0.03 0.00 -2.00 0.00 0.00 41.25 39.33 2cue s ASN 10 CO -0.14 -0.55 0.30 -0.13 -2.94 0.00 0.00 177.10 173.64 2cue s ARG 11 N -3.90 2.93 -0.15 3.55 0.52 -1.26 -5.06 118.95 115.58 2cue s ARG 11 Ca 0.16 -1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 2cue s ARG 11 Cb 0.06 -2.61 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 2cue s ARG 11 CO -0.02 0.22 -0.20 2.41 0.02 0.00 0.00 175.30 177.73 2cue n THR 12 N -1.37 0.84 -3.12 0.02 -1.04 -1.26 -5.03 114.28 103.32 2cue n THR 12 Ca -0.04 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.59 2cue n THR 12 Cb 0.59 -1.71 0.05 0.00 -1.82 0.00 0.00 70.33 67.43 2cue n THR 12 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2cue n SER 13 N -3.68 -5.01 -3.67 8.00 7.64 -1.26 -5.00 113.62 110.64 2cue n SER 13 Ca -0.30 -0.32 -0.08 0.00 1.01 0.00 0.00 58.87 59.18 2cue n SER 13 Cb 0.71 -3.69 -0.02 0.00 -1.01 0.00 0.00 64.21 60.20 2cue n SER 13 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2cue s PHE 14 N -3.15 -0.32 0.29 1.43 0.08 -1.26 -5.13 117.98 109.93 2cue s PHE 14 Ca 0.35 -0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.46 2cue s PHE 14 Cb -0.15 0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 42.90 2cue s PHE 14 CO 0.43 -1.01 0.16 0.95 -0.10 0.00 0.00 175.22 175.65 2cue s THR 15 N -3.74 3.71 0.46 0.64 -4.23 -1.26 -4.97 115.64 106.26 2cue s THR 15 Ca 0.07 -1.57 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2cue s THR 15 Cb -0.03 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.97 2cue s THR 15 CO -0.02 -0.28 2.05 -0.61 -0.54 0.00 0.00 174.62 175.22 2cue h GLN 16 N 1.54 0.28 0.00 3.99 -0.00 -2.03 0.22 115.11 119.11 2cue h GLN 16 Ca -0.46 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.12 2cue h GLN 16 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 2cue h GLN 16 CO 0.61 0.18 -0.27 0.93 0.00 0.00 0.00 178.83 180.28 2cue h GLU 17 N 0.29 0.00 0.09 1.69 5.08 -2.00 -2.33 114.58 117.40 2cue h GLU 17 Ca 0.16 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.16 2cue h GLU 17 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2cue h GLU 17 CO -0.03 0.27 -2.05 1.04 -1.00 0.00 0.00 179.01 177.24 2cue n GLN 18 N -3.77 0.73 0.07 2.33 6.02 0.04 -4.05 117.38 118.74 2cue n GLN 18 Ca -0.01 0.24 0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2cue n GLN 18 Cb 0.37 -1.69 0.45 0.00 1.02 0.00 0.00 30.24 30.39 2cue n GLN 18 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2cue h ILE 19 N 0.05 1.10 -0.52 5.09 2.04 -0.61 0.16 117.51 124.81 2cue h ILE 19 Ca -0.43 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 2cue h ILE 19 Cb 2.02 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2cue h ILE 19 CO 0.06 0.12 0.11 1.05 0.00 0.00 0.00 178.15 179.49 2cue h GLU 20 N 0.39 0.85 0.02 2.37 4.11 -1.58 0.80 114.58 121.54 2cue h GLU 20 Ca 0.10 -0.21 -0.21 0.00 0.07 0.00 0.00 59.36 59.11 2cue h GLU 20 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2cue h GLU 20 CO -0.01 0.82 -0.98 0.00 0.07 0.00 0.00 179.01 178.90 2cue h ALA 21 N 1.00 0.40 0.00 1.06 0.00 -1.56 -2.74 119.26 117.41 2cue h ALA 21 Ca 0.16 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2cue h ALA 21 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2cue h ALA 21 CO 0.00 1.12 -0.33 -0.07 0.00 0.00 0.00 179.25 179.97 2cue h LEU 22 N 0.03 0.00 0.13 0.00 3.38 -0.55 -2.90 115.31 115.39 2cue h LEU 22 Ca -0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 2cue h LEU 22 Cb 1.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.46 2cue h LEU 22 CO 0.14 0.33 -1.01 -0.33 0.09 0.00 0.00 178.44 177.65 2cue h GLU 23 N 0.00 0.28 -0.29 1.13 5.08 -0.84 -3.14 114.58 116.80 2cue h GLU 23 Ca -0.00 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2cue h GLU 23 Cb 1.01 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2cue h GLU 23 CO 0.04 1.23 0.16 -0.22 -1.00 0.00 0.00 179.01 179.22 2cue h LYS 24 N -0.35 0.31 -0.61 2.33 3.64 -1.53 -0.47 116.57 119.89 2cue h LYS 24 Ca -0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2cue h LYS 24 Cb 1.68 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 2cue h LYS 24 CO 0.12 0.21 0.38 1.49 -2.27 0.00 0.00 179.45 179.38 2cue h GLU 25 N 0.32 0.82 -0.34 1.90 4.57 -1.65 -2.43 114.58 117.76 2cue h GLU 25 Ca 0.12 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 2cue h GLU 25 Cb 0.02 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2cue h GLU 25 CO -0.07 0.56 -0.23 0.35 -1.18 0.00 0.00 179.01 178.44 2cue h PHE 26 N 0.83 0.89 -0.58 0.92 3.04 -1.34 -0.42 116.94 120.28 2cue h PHE 26 Ca 0.22 -0.24 0.14 0.00 3.98 0.00 0.00 57.97 62.08 2cue h PHE 26 Cb -0.05 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 2cue h PHE 26 CO 0.00 0.99 0.41 0.93 -2.02 0.00 0.00 178.31 178.62 2cue h GLU 27 N 0.54 0.14 0.08 1.11 4.39 -0.61 -2.34 114.58 117.89 2cue h GLU 27 Ca 0.07 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.49 2cue h GLU 27 Cb 0.79 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2cue h GLU 27 CO 0.06 0.09 -1.42 -0.09 -1.16 0.00 0.00 179.01 176.50 2cue h ARG 28 N 0.15 0.17 -3.02 2.33 9.65 -1.34 -3.47 114.38 118.85 2cue h ARG 28 Ca 0.28 -0.29 -0.22 0.00 -1.10 0.00 0.00 59.98 58.64 2cue h ARG 28 Cb 0.91 0.11 -0.32 0.00 -1.39 0.00 0.00 29.97 29.28 2cue h ARG 28 CO -0.04 1.14 -0.54 -0.08 2.80 0.00 0.00 179.97 183.25 2cue s THR 29 N -2.45 -0.19 -0.72 0.20 -1.32 -0.18 -5.01 115.64 105.96 2cue s THR 29 Ca -0.23 0.23 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 2cue s THR 29 Cb 0.05 -0.36 0.26 0.00 -1.51 0.00 0.00 72.50 70.93 2cue s THR 29 CO 0.72 0.09 1.76 1.41 -2.21 0.00 0.00 174.62 176.39 2cue n HIS 30 N 4.74 0.69 -3.77 9.09 8.25 -1.22 -3.85 115.22 129.16 2cue n HIS 30 Ca -0.16 0.22 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 2cue n HIS 30 Cb 0.51 -0.86 -0.12 0.00 1.12 0.00 0.00 29.99 30.64 2cue n HIS 30 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2cue s TYR 31 N -3.14 2.77 -0.65 4.41 2.02 -1.26 -4.92 117.35 116.58 2cue s TYR 31 Ca 0.09 -2.97 -0.26 0.00 -0.37 0.00 0.00 57.07 53.56 2cue s TYR 31 Cb 0.12 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 2cue s TYR 31 CO 0.51 -0.66 1.87 -1.25 -1.57 0.00 0.00 175.55 174.45 2cue s PRO 32 N -0.75 2.61 1.20 -1.71 0.04 -1.26 -4.98 135.00 130.16 2cue s PRO 32 Ca 0.25 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2cue s PRO 32 Cb -0.08 -4.47 0.24 0.00 0.04 0.00 0.00 34.50 30.24 2cue s PRO 32 CO -0.13 -2.81 0.52 -0.25 0.04 0.00 0.00 177.00 174.37 2cue n ASP 33 N 12.91 -3.12 -0.33 6.66 8.00 -1.26 -3.83 116.55 135.58 2cue n ASP 33 Ca 0.23 -0.47 0.14 0.00 0.71 0.00 0.00 54.79 55.40 2cue n ASP 33 Cb 0.51 -0.93 0.36 0.00 -0.02 0.00 0.00 41.12 41.04 2cue n ASP 33 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2cue h VAL 34 N -2.89 0.70 0.00 2.53 3.04 -1.98 0.68 116.25 118.33 2cue h VAL 34 Ca -0.40 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 2cue h VAL 34 Cb 1.12 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2cue h VAL 34 CO 0.27 0.13 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.64 2cue h PHE 35 N 0.70 0.00 0.04 3.17 0.04 -2.00 -0.95 116.94 117.94 2cue h PHE 35 Ca 0.56 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 61.01 2cue h PHE 35 Cb 0.96 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.07 2cue h PHE 35 CO -0.00 0.05 -1.75 0.00 -0.60 0.00 0.00 178.31 176.01 2cue n ALA 36 N -2.14 0.92 -0.20 2.45 0.00 0.20 -3.56 120.51 118.17 2cue n ALA 36 Ca -0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 2cue n ALA 36 Cb 0.25 -0.47 0.03 0.00 0.00 0.00 0.00 19.45 19.26 2cue n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cue h ARG 37 N -0.61 0.82 0.87 0.00 3.08 -0.53 -1.04 114.38 116.98 2cue h ARG 37 Ca -0.44 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.45 2cue h ARG 37 Cb 1.61 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.52 2cue h ARG 37 CO -0.14 0.66 -0.42 0.93 -1.07 0.00 0.00 179.97 179.93 2cue h GLU 38 N 0.78 -1.13 -0.61 0.04 5.08 -1.37 0.43 114.58 117.80 2cue h GLU 38 Ca 0.20 0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 2cue h GLU 38 Cb 0.11 0.26 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2cue h GLU 38 CO -0.03 -0.75 0.14 0.00 -1.00 0.00 0.00 179.01 177.38 2cue h ARG 39 N -1.25 0.27 -0.52 2.33 3.08 -1.60 -1.22 114.38 115.47 2cue h ARG 39 Ca -0.12 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2cue h ARG 39 Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2cue h ARG 39 CO 0.20 0.18 0.03 1.25 -1.07 0.00 0.00 179.97 180.55 2cue h LEU 40 N 0.27 0.87 -1.21 3.04 5.85 -1.11 -2.59 115.31 120.43 2cue h LEU 40 Ca 0.32 -0.29 0.33 0.00 0.84 0.00 0.00 57.88 59.08 2cue h LEU 40 Cb 0.48 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 2cue h LEU 40 CO -0.40 0.94 0.67 0.00 -0.34 0.00 0.00 178.44 179.31 2cue h ALA 41 N 0.96 2.21 0.00 1.25 0.00 0.11 1.18 119.26 124.98 2cue h ALA 41 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2cue h ALA 41 Cb 0.48 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2cue h ALA 41 CO 0.02 -0.76 -0.66 0.00 0.00 0.00 0.00 179.25 177.86 2cue h ALA 42 N 1.71 0.64 0.03 0.00 0.00 -1.30 0.37 119.26 120.70 2cue h ALA 42 Ca 0.70 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.38 2cue h ALA 42 Cb 1.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2cue h ALA 42 CO -0.45 0.00 -1.00 -0.22 0.00 0.00 0.00 179.25 177.58 2cue h LYS 43 N 0.00 0.33 -0.07 0.00 1.63 0.17 -3.32 116.57 115.31 2cue h LYS 43 Ca 0.00 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2cue h LYS 43 Cb 0.91 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2cue h LYS 43 CO 0.00 1.10 0.00 0.44 -3.45 0.00 0.00 179.45 177.54 2cue n ILE 44 N -3.67 0.51 -3.51 2.00 -5.35 0.09 -5.01 119.36 104.41 2cue n ILE 44 Ca -0.06 -0.75 -0.20 0.00 -0.27 0.00 0.00 62.75 61.46 2cue n ILE 44 Cb 0.87 0.79 0.06 0.00 -1.74 0.00 0.00 39.64 39.62 2cue n ILE 44 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2cue n ASP 45 N 0.05 -3.42 -4.15 7.28 -0.08 0.05 -4.85 116.55 111.43 2cue n ASP 45 Ca 0.03 -0.77 -0.18 0.00 -1.51 0.00 0.00 54.79 52.37 2cue n ASP 45 Cb 0.21 -4.52 -0.12 0.00 2.34 0.00 0.00 41.12 39.03 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cue s LEU 46 N -6.23 2.26 0.21 -2.67 1.43 0.11 -5.00 118.68 108.79 2cue s LEU 46 Ca 0.19 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2cue s LEU 46 Cb -0.04 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 2cue s LEU 46 CO 0.78 -0.09 1.30 -2.16 0.23 0.00 0.00 176.35 176.41 2cue s PRO 47 N -1.66 4.40 0.56 1.29 0.04 -1.26 -4.35 135.00 134.02 2cue s PRO 47 Ca -0.03 2.05 0.39 0.00 0.04 0.00 0.00 61.00 63.45 2cue s PRO 47 Cb -0.10 -3.19 1.52 0.00 0.04 0.00 0.00 34.50 32.77 2cue s PRO 47 CO 0.02 -0.22 1.67 1.49 0.04 0.00 0.00 177.00 180.00 2cue h GLU 48 N 5.17 0.00 -0.36 4.56 4.81 -1.94 0.99 114.58 127.80 2cue h GLU 48 Ca -0.45 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 2cue h GLU 48 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2cue h GLU 48 CO 0.76 0.00 -0.36 0.00 -0.73 0.00 0.00 179.01 178.67 2cue h ALA 49 N 1.16 0.66 0.40 2.92 0.00 -1.97 -3.21 119.26 119.22 2cue h ALA 49 Ca 0.64 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2cue h ALA 49 Cb 2.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2cue h ALA 49 CO -0.01 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 2cue h ARG 50 N 0.71 -0.51 -0.97 0.00 2.47 0.67 -3.09 114.38 113.66 2cue h ARG 50 Ca 0.06 0.03 0.27 0.00 -1.26 0.00 0.00 59.98 59.09 2cue h ARG 50 Cb 0.93 0.12 -0.18 0.00 -1.65 0.00 0.00 29.97 29.19 2cue h ARG 50 CO 0.09 -0.23 0.05 0.82 0.56 0.00 0.00 179.97 181.25 2cue h ILE 51 N -0.75 0.05 -0.17 2.04 2.04 -1.55 0.53 117.51 119.71 2cue h ILE 51 Ca -0.05 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2cue h ILE 51 Cb 0.52 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 2cue h ILE 51 CO 0.09 0.00 -0.54 1.56 0.00 0.00 0.00 178.15 179.26 2cue h GLN 52 N 0.02 -0.53 0.25 2.37 4.20 -1.54 -1.21 115.11 118.67 2cue h GLN 52 Ca 0.59 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.34 2cue h GLN 52 Cb 1.22 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 2cue h GLN 52 CO -0.89 -0.36 -0.47 0.28 -0.67 0.00 0.00 178.83 176.72 2cue h VAL 53 N -0.55 0.00 -1.00 -0.54 2.07 -0.96 0.38 116.25 115.65 2cue h VAL 53 Ca 0.04 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.89 2cue h VAL 53 Cb 0.67 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.26 2cue h VAL 53 CO -0.46 0.00 0.21 -0.25 0.02 0.00 0.00 177.57 177.09 2cue h TRP 54 N -0.78 0.27 -0.03 1.57 7.01 -1.14 0.94 115.95 123.79 2cue h TRP 54 Ca -0.03 0.06 -0.24 0.00 2.11 0.00 0.00 58.89 60.80 2cue h TRP 54 Cb 0.73 0.05 0.01 0.00 -2.10 0.00 0.00 29.16 27.85 2cue h TRP 54 CO -0.36 -0.45 -0.93 0.74 -2.79 0.00 0.00 178.44 174.64 2cue h PHE 55 N 0.01 0.83 0.18 2.65 -1.00 -0.42 -2.72 116.94 116.47 2cue h PHE 55 Ca 0.69 -0.43 0.01 0.00 2.81 0.00 0.00 57.97 61.05 2cue h PHE 55 Cb 1.60 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 41.02 2cue h PHE 55 CO -0.32 1.25 -0.30 1.03 -1.61 0.00 0.00 178.31 178.36 2cue h SER 56 N 0.34 -0.84 -0.81 2.17 0.87 0.51 -1.81 113.55 113.99 2cue h SER 56 Ca -0.09 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2cue h SER 56 Cb 1.57 0.31 -0.04 0.00 -0.44 0.00 0.00 62.40 63.80 2cue h SER 56 CO 0.17 -0.40 0.35 0.78 -0.53 0.00 0.00 176.83 177.20 2cue h ASN 57 N -0.56 1.09 -0.21 6.23 2.35 -1.21 -3.03 115.58 120.24 2cue h ASN 57 Ca 0.01 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2cue h ASN 57 Cb 0.56 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 2cue h ASN 57 CO -0.13 0.95 -0.29 -0.09 -1.65 0.00 0.00 177.43 176.21 2cue h ARG 58 N 1.17 -0.31 -0.99 0.81 9.65 -1.11 -0.77 114.38 122.83 2cue h ARG 58 Ca 0.27 0.02 0.35 0.00 -1.10 0.00 0.00 59.98 59.52 2cue h ARG 58 Cb 0.18 0.07 -0.17 0.00 -1.39 0.00 0.00 29.97 28.66 2cue h ARG 58 CO -0.03 -0.21 0.40 0.00 2.80 0.00 0.00 179.97 182.93 2cue h ARG 59 N -0.32 0.08 -0.30 0.20 3.08 -1.21 0.75 114.38 116.65 2cue h ARG 59 Ca 0.12 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2cue h ARG 59 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2cue h ARG 59 CO -0.40 0.05 0.01 0.00 -1.07 0.00 0.00 179.97 178.57 2cue h ALA 60 N 1.95 0.41 -0.22 0.04 0.00 -1.23 0.18 119.26 120.38 2cue h ALA 60 Ca 0.74 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 2cue h ALA 60 Cb 1.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2cue h ALA 60 CO -0.76 0.14 -0.17 -0.22 0.00 0.00 0.00 179.25 178.24 2cue h LYS 61 N 0.33 0.37 0.06 0.00 3.64 0.69 -1.03 116.57 120.63 2cue h LYS 61 Ca 0.09 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2cue h LYS 61 Cb 0.41 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2cue h LYS 61 CO 0.01 0.53 -0.03 2.35 -2.27 0.00 0.00 179.45 180.05 2cue h TRP 62 N 0.34 -0.07 -0.51 1.91 7.01 -0.34 -2.44 115.95 121.86 2cue h TRP 62 Ca 0.06 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.12 2cue h TRP 62 Cb 0.49 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.53 2cue h TRP 62 CO 0.01 0.53 0.22 0.00 -2.79 0.00 0.00 178.44 176.41 2cue h ARG 63 N -0.88 0.41 -0.55 2.65 3.08 -0.63 0.13 114.38 118.59 2cue h ARG 63 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2cue h ARG 63 Cb 0.64 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2cue h ARG 63 CO 0.01 0.27 0.26 0.07 -1.07 0.00 0.00 179.97 179.51 2cue h ARG 64 N 0.42 0.79 0.83 0.04 0.11 -1.30 -2.43 114.38 112.84 2cue h ARG 64 Ca 0.24 -0.12 -0.04 0.00 0.10 0.00 0.00 59.98 60.15 2cue h ARG 64 Cb 0.21 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.16 2cue h ARG 64 CO -0.21 0.66 -0.40 0.93 0.10 0.00 0.00 179.97 181.05 2cue h GLU 65 N 0.74 -1.07 -1.32 0.08 4.39 -0.88 -2.72 114.58 113.80 2cue h GLU 65 Ca 0.19 0.07 0.38 0.00 0.34 0.00 0.00 59.36 60.34 2cue h GLU 65 Cb 0.13 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 2cue h GLU 65 CO -0.02 -0.71 0.94 0.93 -1.16 0.00 0.00 179.01 178.99 2cue h GLU 66 N -1.30 0.01 0.22 2.33 3.07 -0.77 0.91 114.58 119.05 2cue h GLU 66 Ca -0.11 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2cue h GLU 66 Cb 0.85 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2cue h GLU 66 CO 0.19 0.01 -0.10 -0.22 -1.40 0.00 0.00 179.01 177.48 2cue h LYS 67 N 0.01 -0.28 -0.69 2.33 3.64 -1.17 -2.49 116.57 117.93 2cue h LYS 67 Ca 0.63 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 60.23 2cue h LYS 67 Cb 2.50 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 34.36 2cue h LYS 67 CO -0.02 0.06 0.69 -0.07 -2.27 0.00 0.00 179.45 177.85 2cue h LEU 68 N -0.67 0.00 0.00 5.20 3.38 -0.52 0.31 115.31 123.01 2cue h LEU 68 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cue h LEU 68 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cue h LEU 68 CO 0.05 0.00 -0.00 -0.09 0.09 0.00 0.00 178.44 178.49 2cue h ARG 69 N 0.00 -0.01 -0.91 1.13 9.65 -1.33 -2.82 114.38 120.09 2cue h ARG 69 Ca 0.33 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.31 2cue h ARG 69 Cb 1.71 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.22 2cue h ARG 69 CO -0.00 0.86 0.59 -0.91 2.80 0.00 0.00 179.97 183.31 2cue h ASN 70 N -0.96 0.83 -0.42 -3.80 2.35 -0.54 0.57 115.58 113.61 2cue h ASN 70 Ca -0.00 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2cue h ASN 70 Cb 0.87 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2cue h ASN 70 CO 0.00 0.48 -0.30 0.06 -1.65 0.00 0.00 177.43 176.02 2cue h GLN 71 N 0.91 0.94 -0.09 0.81 3.07 -1.31 -3.01 115.11 116.43 2cue h GLN 71 Ca 0.43 -0.46 -0.10 0.00 0.09 0.00 0.00 58.65 58.61 2cue h GLN 71 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 2cue h GLN 71 CO -0.19 1.12 -0.39 -0.09 0.09 0.00 0.00 178.83 179.37 2cue h ARG 72 N 0.77 0.18 -6.77 0.06 1.12 -1.00 -3.45 114.38 105.30 2cue h ARG 72 Ca 0.08 -0.08 -0.57 0.00 -1.11 0.00 0.00 59.98 58.30 2cue h ARG 72 Cb 0.89 -0.00 0.17 0.00 -0.01 0.00 0.00 29.97 31.02 2cue h ARG 72 CO 0.08 0.55 -0.02 -2.13 -3.11 0.00 0.00 179.97 175.34 2cue n ARG 73 N -4.05 0.71 -3.84 0.20 0.63 0.09 -4.97 116.66 105.43 2cue n ARG 73 Ca -0.01 0.28 -0.35 0.00 -0.92 0.00 0.00 57.85 56.85 2cue n ARG 73 Cb 0.45 -2.05 -0.12 0.00 0.45 0.00 0.00 32.46 31.19 2cue n ARG 73 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2cue s GLN 74 N -2.71 1.94 -0.28 -0.14 0.74 -1.26 -5.01 119.66 112.94 2cue s GLN 74 Ca 0.74 -1.78 -0.16 0.00 0.05 0.00 0.00 55.36 54.21 2cue s GLN 74 Cb -0.41 -3.47 0.08 0.00 1.10 0.00 0.00 33.01 30.31 2cue s GLN 74 CO 0.49 -1.00 0.68 -1.54 -0.55 0.00 0.00 175.29 173.37 2cue s SER 75 N 1.58 -0.93 0.00 6.67 1.04 -1.26 -5.07 113.70 115.73 2cue s SER 75 Ca 0.07 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2cue s SER 75 Cb -0.22 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.27 2cue s SER 75 CO -0.05 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2cue n GLY 76 N 4.27 1.12 3.70 7.32 0.00 -1.26 -5.09 105.19 115.25 2cue n GLY 76 Ca -0.20 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2cue n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cue s PRO 77 N 0.00 4.30 -0.54 1.61 0.04 -1.26 -4.87 135.00 134.28 2cue s PRO 77 Ca 0.00 2.03 -0.38 0.00 0.04 0.00 0.00 61.00 62.69 2cue s PRO 77 Cb 0.00 -3.44 -0.16 0.00 0.04 0.00 0.00 34.50 30.94 2cue s PRO 77 CO 0.00 -0.52 2.28 -1.13 0.04 0.00 0.00 177.00 177.67 2cue n SER 78 N 4.76 1.23 -4.52 6.66 3.41 -1.26 -4.74 113.62 119.16 2cue n SER 78 Ca 0.12 0.43 -0.59 0.00 -0.26 0.00 0.00 58.87 58.57 2cue n SER 78 Cb 0.43 -1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.23 2cue n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cue n SER 79 N 9.35 0.20 0.00 4.04 2.88 -1.26 -5.23 113.62 123.61 2cue n SER 79 Ca 0.51 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 59.21 2cue n SER 79 Cb 0.10 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42